5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C13H11FN4O6S — CID 171087898

IUPAC5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3cnc(OC4COC4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C13H11FN4O6S/c14-10-11-6(2-15-13(16-11)24-7-4-23-5-7)1-8(19)12(10)18-3-9(20)17-25(18,21)22/h1-2,7,19H,3-5H2,(H,17,20)
InChIKeyBXNYCTCDRVKBCK-UHFFFAOYSA-N
MW370.32 g/mol
LogP-0.57
Rot. Bonds3

About 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 171087898) has the molecular formula C13H11FN4O6S and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID171087898
Molecular FormulaC13H11FN4O6S
Molecular Weight370.32 g/mol
Exact Mass370.04
IUPAC Name5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3cnc(OC4COC4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C13H11FN4O6S/c14-10-11-6(2-15-13(16-11)24-7-4-23-5-7)1-8(19)12(10)18-3-9(20)17-25(18,21)22/h1-2,7,19H,3-5H2,(H,17,20)
InChIKeyBXNYCTCDRVKBCK-UHFFFAOYSA-N
XLogP-0.57
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[8-fluoro-6-hydroxy-2-(oxetan-3-ylamino)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087983
5-[2-(2,2-difluoroethoxy)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087977
5-[2-(dimethylamino)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087929
5-[2-(ethylamino)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087980
5-[8-fluoro-6-hydroxy-2-(1H-pyrazol-5-yl)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 174320768
5-[7-[(3R)-3,4-dihydroxy-3-methylbutoxy]-1-fluoro-3,6-dihydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 156506565
5-[2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 165122718
5-[3-(azetidin-3-yloxy)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176856410
5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 165122577
5-(9-fluoro-7-hydroxybenzo[e][1]benzofuran-8-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 146992669
5-[(7R)-7-amino-4-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176509509
[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid
CID 156508089

Frequently Asked Questions

What is the IUPAC name of 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 171087898) is 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc3cnc(OC4COC4)nc3c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is BXNYCTCDRVKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O6S/c14-10-11-6(2-15-13(16-11)24-7-4-23-5-7)1-8(19)12(10)18-3-9(20)17-25(18,21)22/h1-2,7,19H,3-5H2,(H,17,20).
What are the key properties of 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 370.32 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-fluoro-6-hydroxy-2-(oxetan-3-yloxy)quinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 171087898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).